Maybridge3_003634
TL;DR: Maybridge3_003634 (CAS 207307-49-1) is a chemical compound with molecular formula C13H15NO2S2 and molecular weight 281.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxyethylsulfanyl)-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile
Also Known As: Maybridge3_003634, IDI1_015021, 3-[(2-hydroxyethyl)thio]-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carbonitrile, 3-(2-hydroxyethylsulfanyl)-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile, 3-(2-hydroxyethylsulanyl)-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile
| Molecular Formula | C13H15NO2S2 |
|---|---|
| Molecular Weight | 281.05 g/mol |
| LogP | 2.85928 |
| Topological Polar Surface Area | 61.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.0544 |
| Heavy Atoms | 18 |
| Complexity | 525.8289 |
Chemical Identifiers
| CAS Number | 207307-49-1 |
|---|---|
| SMILES | CC1(CC2=C(SC(=C2C(=O)C1)SCCO)C#N)C |
Product Overview
Maybridge3_003634 (CAS 207307-49-1), with molecular formula C13H15NO2S2 and molecular weight 281.05 g/mol. IUPAC: 3-(2-hydroxyethylsulfanyl)-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile.
Chemical Property Profile of Maybridge3_003634
Property Insights of Maybridge3_003634
The XLogP value of 2.85928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Maybridge3_003634. The TPSA of 61.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Maybridge3_003634. Following Lipinski's Rule of Five, Maybridge3_003634 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Maybridge3_003634?
The CAS number of Maybridge3_003634 is 207307-49-1.
What is the molecular formula of Maybridge3_003634?
The molecular formula of Maybridge3_003634 is C13H15NO2S2.
What is the molecular weight of Maybridge3_003634?
The molecular weight of Maybridge3_003634 is 281.05 g/mol.
Where can I buy Maybridge3_003634?
You can request a quote for Maybridge3_003634 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Maybridge3_003634?
Yes, KEHONG BIO provides custom synthesis services for Maybridge3_003634 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.